3-[ethanoyl-[2-(pyridin-2-ylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[ethanoyl-[2-(pyridin-2-ylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[acetyl-[2-(2-pyridylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[acetyl-[[oxo-[2-(2-pyridinylamino)propoxy]methyl]amino]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[acetyl-[2-(pyridin-2-ylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[acetyl-[2-(2-pyridylamino)propoxycarbonylamino]amino]-3-(4-phenylphenyl)propionic acid Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)NN(C(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C)NC3=CC=CC=N3

Isomeric SMILES

CC(COC(=O)NN(C(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C)NC3=CC=CC=N3

InChI

InChI=1S/C26H28N4O5/c1-18(28-24-10-6-7-15-27-24)17-35-26(34)29-30(19(2)31)23(16-25(32)33)22-13-11-21(12-14-22)20-8-4-3-5-9-20/h3-15,18,23H,16-17H2,1-2H3,(H,27,28)(H,29,34)(H,32,33)